N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C17H23N5O — CID 917196

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NN=Cc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H23N5O/c1-13-11-14(2)22(20-13)10-9-17(23)19-18-12-15-5-7-16(8-6-15)21(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,23)
InChIKeyURCYMAPDKVWUFJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.11
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 917196) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID917196
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NN=Cc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H23N5O/c1-13-11-14(2)22(20-13)10-9-17(23)19-18-12-15-5-7-16(8-6-15)21(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,23)
InChIKeyURCYMAPDKVWUFJ-UHFFFAOYSA-N
XLogP2.11
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 135517055
3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
CID 5418862
3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 6210816
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6889379
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5400153
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
methyl 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 46804575
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 135688704

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 917196) is N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)NN=Cc2ccc(N(C)C)cc2)n1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is URCYMAPDKVWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-11-14(2)22(20-13)10-9-17(23)19-18-12-15-5-7-16(8-6-15)21(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 313.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 917196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).